SCHEMBL5768786

SCHEMBL5768786

CC(C)COC(=O)c1ccn(C(N)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
JMJD6 Q6NYC1 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SCN4A P35499 2/20 0.36
TP53 P04637 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20920373 0.81 KMT2A (0.53) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL1414894 0.72 NOS1 (0.51) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL2664133 0.72 TSHR (0.52) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL19124507 0.70 EPHX1 (0.38) MEN1KMT2AHPGDTSHRPOLB
SCHEMBL10436784 0.70 KMT2A (0.56) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL4188566 0.70 SCN4A (0.45) KMT2ARAB9ASMN1; SMN2TSHRHTT
SCHEMBL2659282 0.70 KMT2A (0.56) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL5787901 0.70 KDM4C (0.37) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL162880 0.68 KMT2A (0.58) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL1058997 0.68 CYP1A2 (0.49) HPGDSMN1; SMN2MAPTJMJD6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed